6Q54

Structure of GluA2 ligand-binding domain (S1S2J) in complex with the agonist (S)-2-Amino-3-(1-ethyl-4-hydroxy-1H-1,2,3-triazol-5-yl)propanoic acid at 1.4 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX IV BEAMLINE BioMAX
Synchrotron site	MAX IV
Beamline	BioMAX
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-02-01
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979988
Spacegroup name	P 21 21 2
Unit cell lengths	98.331, 121.738, 47.134
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.954 - 1.400
R-factor	0.1451
Rwork	0.144
R-free	0.16330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1m5b
RMSD bond length	0.010
RMSD bond angle	1.149
Data reduction software	XDS
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.590	45.590	1.480
High resolution limit [Å]	1.400	4.430	1.400
Rmerge		0.032	0.458
Rmeas	0.058	0.034	0.496
Rpim	0.022	0.013	0.189
Number of reflections	112106	3847	16195
<I/σ(I)>	16.1	15.6	1.6
Completeness [%]	100.0	99.7	99.9
Redundancy	6.8	6.5	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	279	20% PEG4000, 0.3 M lithium sulfate, 0.1 M phosphate-citrate